Vitas-M small molecule compound
3-(5-{(Z)-[3-(2-{[4-chloro-3-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid
Catalog ID
STL380340
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CN1C(=O)S/C(=C\c2ccc(o2)c2cccc(c2C)C(=O)O)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H19ClN2O8S MW 554.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O8S/c1-13-16(4-3-5-17(13)24(32)33)20-9-7-15(37-20)11-21-23(31)29(26(35)38-21)12-22(30)28-14-6-8-19(27)18(10-14)25(34)36-2/h3-11H,12H2,1-2H3,(H,28,30)(H,32,33)/b21-11-InChIKey
FXMIRDIYCACNMT-NHDPSOOVSA-NSynonyms
3(5((Z)(3(2((4chloro3(methoxycarbonyl)phenyl)amino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)furan2yl)2methylbenzoicacid
3(5((Z)(3(2(4CHLORO3METHOXYCARBONYLANILINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)2METHYLBENZOICACID
CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)OC
COC(=O)c1cc(ccc1Cl)NC(=O)CN1C(=O)SC(=Cc2ccc(o2)c2cccc(c2C)C(=O)O)C1=O
InChI=1SC26H19ClN2O8Sc11316(43517(13)24(32)33)209715(3720)112123(31)29(26(35)3821)1222(30)28146819(27)18(1014)25(34)362h311H12H212H3(H2830)(H3233)b2111
MFCD05129082
ZINC000105981009
ZINC105981009
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.